[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)C

InChI

InChI=1S/C20H20N2O3S/c1-15-8-9-18(16(2)12-15)26-14-20(24)25-13-19(23)22(11-10-21)17-6-4-3-5-7-17/h3-9,12H,11,13-14H2,1-2H3